Home Other Building Blocks CEPHAELINE HYDROCHLORIDE

CEPHAELINE HYDROCHLORIDE

CAS No.:
3738-70-3
Catalog Number:
AG00BZLI
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BZLI
Chemical Name:
CEPHAELINE HYDROCHLORIDE
CAS Number:
3738-70-3
MDL Number:
MFCD14702529
IUPAC Name:
(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;dihydrochloride
InChI:
InChI=1S/C28H38N2O4.2ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H/t17-,20-,23+,24-;;/m0../s1
InChI Key:
YAOHSWWVTZSRQM-JBKGYMEJSA-N
EC Number:
227-463-3
UNII:
5QL8Q0680S
Properties
Complexity:
664  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
538.237g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
539.538g/mol
Monoisotopic Mass:
538.237g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. Journal of natural products 19910101
Properties